TPCN00294

Name Alstiyunnanenines B
Molecular Formula C32H37N2O7+
Molecular Weight 561.66
CAS Registry Number 2229806-51-1
SMILES CC=C1C[N+]2(C)C3CC45c6ccccc6N(C)C4(O3)C2CC1C5(COC(=O)c1ccc(OC)c(OC)c1)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia yunnanensis Aerial parts 0.000650% Fitoterapia, 2017, 117, 79-83. 10.1016/j.fitote.2016.12.011
Properties
HBA 9 HBD 0
HeavyAtoms 41 AlogP 3.66
TPSA 83.53 RotatableBonds 6
FractionCSP3 0.50 Rings 7
AromaticRings 2 AliphaticRings 5